[2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-hexoxypropanoate

Systemtic Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-hexoxypropanoate Openeye Name: [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinyl] ester IUPAC Name: [2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidin-5-yl] ester Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C33H46N2O3/c1-4-6-8-10-11-15-21-33(22-19-29(20-23-33)28-17-13-12-14-18-28)32-34-25-30(26-35-32)38-31(36)27(3)37-24-16-9-7-5-2/h12-14,17-20,22-23,25-27,29H,4-11,15-16,21,24H2,1-3H3